Abstract
Ligation is a form of chemical self-assembly that involves dynamic formation of strong covalent bonds in the presence of weak associative forces. We study an extremely simple form of ligation by means of a dissipative particle dynamics (DPD) model extended to include the dynamic making and breaking of strong bonds, which we term dynamically bonding dissipative particle dynamics (DDPD). Then we use a chemical genetic algorithm (CGA) to optimize the model’s parameters to achieve a limited form of ligation of trimers—a proof of principle for the evolutionary design of self-assembling chemical systems.
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Bedau, M.A. et al. (2006). Evolutionary Design of a DDPD Model of Ligation. In: Talbi, EG., Liardet, P., Collet, P., Lutton, E., Schoenauer, M. (eds) Artificial Evolution. EA 2005. Lecture Notes in Computer Science, vol 3871. Springer, Berlin, Heidelberg. https://doi.org/10.1007/11740698_18
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DOI: https://doi.org/10.1007/11740698_18
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-33589-4
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